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P-885522987

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Name File
SDF P-885522987.sdf
SMILES P-885522987.smiles
Standard InChI P-885522987.inchi
InChIKey P-885522987.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885522987 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 349.233
logP 5.07486
H-bond acceptors 3
H-bond donors 0
Rotatable bonds 5
PSA 92.89
RO5 violations 1
RO3 violations 4
Refractivity 87.7465
Atoms 32
Rings 2
Heavy atoms 22
Hydrogen atoms 10
Heteroatoms 6
N/O atoms 3
Inorganic atoms 0
Halogen atoms 2
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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